1-(cyclohexylmethyl)-2-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid

Systemtic Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(m-tolyl)thiazol-4-yl]pyrrole-3-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(3-methylphenyl)-4-thiazolyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(m-tolyl)thiazol-4-yl]pyrrole-3-carboxylic acid Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CS2)C3=CC(=C(N3CC4CCCCC4)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CS2)C3=CC(=C(N3CC4CCCCC4)C)C(=O)O

InChI

InChI=1S/C23H26N2O2S/c1-15-7-6-10-18(11-15)22-24-20(14-28-22)21-12-19(23(26)27)16(2)25(21)13-17-8-4-3-5-9-17/h6-7,10-12,14,17H,3-5,8-9,13H2,1-2H3,(H,26,27)